2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C19H20FN7OS — CID 166475144

IUPAC2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCn1cc(N2CCc3nc(-c4cnc(N5CCC[C@H](F)C5)nc4)sc3C2=O)cn1
InChIInChI=1S/C19H20FN7OS/c1-25-11-14(9-23-25)27-6-4-15-16(18(27)28)29-17(24-15)12-7-21-19(22-8-12)26-5-2-3-13(20)10-26/h7-9,11,13H,2-6,10H2,1H3/t13-/m0/s1
InChIKeyFTEYONKLKZMBME-ZDUSSCGKSA-N
MW413.48 g/mol
LogP2.47
Rot. Bonds3

About 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 166475144) has the molecular formula C19H20FN7OS and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID166475144
Molecular FormulaC19H20FN7OS
Molecular Weight413.48 g/mol
Exact Mass413.14
IUPAC Name2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCn1cc(N2CCc3nc(-c4cnc(N5CCC[C@H](F)C5)nc4)sc3C2=O)cn1
InChIInChI=1S/C19H20FN7OS/c1-25-11-14(9-23-25)27-6-4-15-16(18(27)28)29-17(24-15)12-7-21-19(22-8-12)26-5-2-3-13(20)10-26/h7-9,11,13H,2-6,10H2,1H3/t13-/m0/s1
InChIKeyFTEYONKLKZMBME-ZDUSSCGKSA-N
XLogP2.47
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 166475144) is 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is Cn1cc(N2CCc3nc(-c4cnc(N5CCC[C@H](F)C5)nc4)sc3C2=O)cn1.
What is the InChIKey of 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is FTEYONKLKZMBME-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20FN7OS/c1-25-11-14(9-23-25)27-6-4-15-16(18(27)28)29-17(24-15)12-7-21-19(22-8-12)26-5-2-3-13(20)10-26/h7-9,11,13H,2-6,10H2,1H3/t13-/m0/s1.
What are the key properties of 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 413.48 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 166475144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).